Novel stable crystalline phase for the Stillinger-Weber potential

New metastable form of ice and its role in the homogeneous crystallization of water

(2014) John Russo et al.   NATURE MATERIALS

Triplet Correlations Dominate the Transition from Simple to Tetrahedral Liquids

(2014) Murari Singh et al.   PHYSICAL REVIEW LETTERS

Bond orientational order in liquids: Towards a unified description of water-like anomalies, liquid-liquid transition, glass transition, and crystallization

(2012) Hajime Tanaka   EUROPEAN PHYSICAL JOURNAL E

Crystal-structure prediction via the Floppy-Box Monte Carlo algorithm: Method and application to hard (non)convex particles

(2012) Joost de Graaf et al.   JOURNAL OF CHEMICAL PHYSICS

Free energy landscapes for homogeneous nucleation of ice for a monatomic water model

(2012) Aleks Reinhardt et al.   JOURNAL OF CHEMICAL PHYSICS

Two-phase simulation of the crystalline silicon melting line at pressures from –1 to 3 GPa

(2012) V. S. Dozhdikov et al.   JOURNAL OF CHEMICAL PHYSICS

Tetragonal Allotrope of Group 14 Elements

(2012) Zhisheng Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Self and collective correlation functions in a gel of tetrahedral patchy particles

(2012) Lorenzo Rovigatti et al.   MOLECULAR PHYSICS

Prediction of a metastable phase of silicon in theIbamstructure

(2012) Brad D. Malone et al.   PHYSICAL REVIEW B

Computer simulation study of the phase behavior and structural relaxation in a gel-former modeled by three-body interactions

(2011) Shibu Saw et al.   JOURNAL OF CHEMICAL PHYSICS

The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water

(2011) David T. Limmer et al.   JOURNAL OF CHEMICAL PHYSICS

Structural transformation in supercooled water controls the crystallization rate of ice

(2011) Emily B. Moore et al.   NATURE

Liquid–liquid critical point in supercooled silicon

(2011) Vishwas V. Vasisht et al.   Nature Physics

Phase diagram of a tetrahedral patchy particle model for different interaction ranges

(2010) Flavio Romano et al.   JOURNAL OF CHEMICAL PHYSICS

An extensive theoretical survey of low-density allotropy in silicon

(2010) Martijn A. Zwijnenburg et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Reversible gels of patchy particles: Role of the valence

(2009) John Russo et al.   JOURNAL OF CHEMICAL PHYSICS

Efficient Method for Predicting Crystal Structures at Finite Temperature: Variable Box Shape Simulations

(2009) Laura Filion et al.   PHYSICAL REVIEW LETTERS

Water Modeled As an Intermediate Element between Carbon and Silicon†

(2008) Valeria Molinero et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Determination of phase diagrams via computer simulation: methodology and applications to water, electrolytes and proteins

(2008) C Vega et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Metadynamics Simulations of the High-Pressure Phases of Silicon Employing a High-Dimensional Neural Network Potential

(2008) Jörg Behler et al.   PHYSICAL REVIEW LETTERS